6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide

C24H20N6O4 — CID 169085112

IUPAC6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12
InChIInChI=1S/C24H20N6O4/c25-22(32)18(9-13-1-5-16(31)6-2-13)28-23(33)19-11-27-21-8-4-15(12-30(19)21)14-3-7-20-17(10-14)29-24(26)34-20/h1-8,10-12,18,31H,9H2,(H2,25,32)(H2,26,29)(H,28,33)/t18-/m0/s1
InChIKeyRNGUEWZUGLSAFM-SFHVURJKSA-N
MW456.46 g/mol
LogP2.26
Rot. Bonds6

About 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide

6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 169085112) has the molecular formula C24H20N6O4 and a molecular weight of 456.46 g/mol. Its IUPAC name is 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID169085112
Molecular FormulaC24H20N6O4
Molecular Weight456.46 g/mol
Exact Mass456.15
IUPAC Name6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12
InChIInChI=1S/C24H20N6O4/c25-22(32)18(9-13-1-5-16(31)6-2-13)28-23(33)19-11-27-21-8-4-15(12-30(19)21)14-3-7-20-17(10-14)29-24(26)34-20/h1-8,10-12,18,31H,9H2,(H2,25,32)(H2,26,29)(H,28,33)/t18-/m0/s1
InChIKeyRNGUEWZUGLSAFM-SFHVURJKSA-N
XLogP2.26
TPSA161.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 169085112) is 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide is NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12.
What is the InChIKey of 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is RNGUEWZUGLSAFM-SFHVURJKSA-N. The full InChI is InChI=1S/C24H20N6O4/c25-22(32)18(9-13-1-5-16(31)6-2-13)28-23(33)19-11-27-21-8-4-15(12-30(19)21)14-3-7-20-17(10-14)29-24(26)34-20/h1-8,10-12,18,31H,9H2,(H2,25,32)(H2,26,29)(H,28,33)/t18-/m0/s1.
What are the key properties of 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 456.46 g/mol, XLogP of 2.26, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1,3-benzoxazol-5-yl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 169085112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).